(3S,4S)-3-Aminotetrahydro-2H-Pyran-4-ol
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(3S,4S)-3-Aminotetrahydro-2H-Pyran-4-ol

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A reagent used in the preparation of ERR-α inverse agonists.

Category
Amino Alcohol
Catalog number
BAT-008773
CAS number
1240390-32-2
Molecular Formula
C5H11NO2
Molecular Weight
117.15
(3S,4S)-3-Aminotetrahydro-2H-Pyran-4-ol
IUPAC Name
(3S,4S)-3-aminooxan-4-ol
Purity
97.0%
Density
1.1±0.1 g/cm3
Boiling Point
246.8±40.0 °C at 760 mmHg
InChI
InChI=1S/C5H11NO2/c6-4-3-8-2-1-5(4)7/h4-5,7H,1-3,6H2/t4-,5-/m0/s1
InChI Key
KUCSFTQJADYIQH-UHFFFAOYSA-N
Canonical SMILES
C1COCC(C1O)N
1. rac-(3S,4S)-3-Hy-droxy-4-phenyl-1-[(S)-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)meth-yl]-4,5-dihydro-1H-1,5-benzo-diazepin-2(3H)-one
Mohamed Rida, El Mokhtar Essassi, Stéphane Massip, Saïd Lazar, Hafid Zouihri Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):o945-6. doi: 10.1107/S1600536811010129. Epub 2011 Mar 23.
In the title compound, C(25)H(23)N(3)O(3), the seven-membered diazepine ring adopts a boat conformation with the hydroxy-substituted C atom at the prow and fused-ring C atoms at the stern. The crystal packing features C-H⋯O, C-H⋯π and N-H ⋯π inter-actions.
2. (3S,4S)-1-Benzyl-pyrrolidine-3,4-diol
Li-Hua Lu, Xiao-Li Sun, Ping-An Wang Acta Crystallogr Sect E Struct Rep Online. 2010 Mar 27;66(Pt 4):o928. doi: 10.1107/S1600536809055391.
In the title compound, C(11)H(15)NO(2), the pyrrolidine ring adapts a twisted envelope conformation and the two hydroxyl groups are arranged in a trans conformation. The crystal packing is stabilized by inter-molecular O-H⋯N and O-H⋯O hydrogen bonds. A weak C-H⋯π inter-action also occurs.
3. [(1 R*,3 S*,4 S*)-3-(2-Hy-droxy-benzo-yl)-1,2,3,4-tetra-hydro-1,4-ep-oxy-naphthalen-1-yl]methyl 4-nitro-benzoate
Alan J Lough, Angel Ho, William Tam IUCrdata. 2020 Feb 28;5(Pt 2):x200265. doi: 10.1107/S2414314620002655. eCollection 2020 Feb.
The relative stereo- and regiochemistry of the racemic title compound, C25H19NO7, were established from the crystal structure. The fused benzene ring forms dihedral angles of 77.3 (1) and 60.3 (1)° with the hy-droxy-substituted benzene ring and the nitro-substituted benzene ring, respectively. The dihedral angle between the hy-droxy-substituted benzene ring and the nitro-substituted benzene ring is 76.4 (1)°. An intra-molecular O-H⋯O hydrogen bond closes an S(6) ring. In the crystal, weak C-H⋯O hydrogen bonds connect the mol-ecules, forming layers parallel to (100). Within these layers, there are weak π-π stacking inter-actions with a ring centroid-ring centroid distance of 3.555 (1) Å.
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